SCHEMBL4996249

SCHEMBL4996249

Fc1ccccc1N1CCN(c2cncc(-c3ccc(C(F)(F)F)cc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PIM1 P11309 4/20 0.48
PIM3 Q86V86 4/20 0.48
PIM2 Q9P1W9 3/20 0.48
CYP11B2 P19099 2/20 0.44
CYP11B1 P15538 1/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
GLA P06280 2/20 0.39
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4995177 0.89 LMNA (0.49) MAPTSMN1; SMN2LMNANPSR1NFKB1
SCHEMBL4992191 0.88 MAPT (0.54) MAPTSMN1; SMN2LMNANPSR1NFKB1
SCHEMBL4997778 0.86 PIM1 (0.49) PIM1PIM3PIM2CYP11B2CYP11B1
SCHEMBL4992184 0.85 MAPT (0.52) MAPTSMN1; SMN2LMNANPSR1NFKB1
SCHEMBL5003435 0.84 TACR3 (0.55) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL5000680 0.84 PIM1 (0.51) MAPTSMN1; SMN2LMNANPSR1NFKB1
SCHEMBL5000656 0.82 MAPT (0.49) MAPTSMN1; SMN2LMNANPSR1NFKB1
SCHEMBL4996845 0.82 MAPT (0.49) MAPTSMN1; SMN2LMNANPSR1NFKB1
SCHEMBL4996338 0.82 MAPT (0.49) MAPTSMN1; SMN2LMNANPSR1NFKB1
SCHEMBL5000701 0.82 LMNA (0.51) MAPTSMN1; SMN2LMNANPSR1NFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C MAPT 5/4885SMN1; SMN2 896/4885LMNA 2743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.